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Theoretical Studies on Excited States of Biorelated Systems from Gas Phase to Aqueous Solution 期刊论文
2015
Junfeng Li; Xugeng Guo; Yuan Zhao; Zexing Cao; 曹泽星
收藏  |  浏览/下载:5/0  |  提交时间:2015/06/26
Energy relaxation and separation of a hot electron-hole pair in organic aggregates from a time-dependent wavepacket diffusion method 期刊论文
http://dx.doi.org/10.1063/1.4879955, 2014
Han, Lu; Zhong, Xinxin; Liang, WanZhen; Zhao, Yi; 梁万珍; 赵仪
收藏  |  浏览/下载:119/0  |  提交时间:2015/07/22
A QM/MM MD insight into photodynamics of hypoxanthine: distinct nonadiabatic decay behaviors between keto-N7H and keto-N9H tautomers in aqueous solution 期刊论文
http://dx.doi.org/10.1039/c4cp01928h, 2014
Guo, Xugeng; Zhao, Yuan; Cao, Zexing; 曹泽星
收藏  |  浏览/下载:2/0  |  提交时间:2015/07/22
Effects of External Field and Nanoribbon Length on the Electronic Structure and Properties of Graphene Nanoribbons 期刊论文
http://dx.doi.org/10.3866/PKU.WHXB201401141, 2014
Sun Jin; Liang Wan-Zhen; 梁万珍
收藏  |  浏览/下载:3/0  |  提交时间:2015/07/22
几类核酸碱基相关体系激发态动力学的理论研究 学位论文
2014, 2014
郭续更
收藏  |  浏览/下载:4/0  |  提交时间:2016/01/12
Theoretical study of the low-lying electronic excited states for molecular aggregates 期刊论文
http://dx.doi.org/10.1007/s11426-013-4906-9, 2013
Shuai ZhiGang; Liu WenJian; Liang WanZhen; Shi Qiang; Chen Hui; 梁万珍
收藏  |  浏览/下载:2/0  |  提交时间:2015/07/22
Computational Insight on the Working Principles of Zinc Porphyrin Dye-Sensitized Solar Cells 期刊论文
http://dx.doi.org/10.1021/jp3125445, 2013
Ju, Ming-Gang; Liang, WanZhen; 梁万珍
收藏  |  浏览/下载:5/0  |  提交时间:2015/07/22
ABSORPTION SPECTRA OF NUCLEIC ACID BASES IN WATER ENVIRONMENT: INSIGHTS INTO FROM COMBINED QM/MM AND CLUSTER-CONTINUUM MODEL CALCULATIONS 期刊论文
http://dx.doi.org/10.1142/S0219633613410137, 2013
Zhao, Yuan; Cao, Zexing; 曹泽星
收藏  |  浏览/下载:6/0  |  提交时间:2015/07/22
Ab initio insight into ultrafast nonadiabatic decay of hypoxanthine: keto-N7H and keto-N9H tautomers 期刊论文
http://dx.doi.org/10.1039/c3cp44718a, 2013
Guo, Xugeng; Lan, Zhenggang; Cao, Zexing; 曹泽星
收藏  |  浏览/下载:3/0  |  提交时间:2015/07/22
Theoretical Insights into Intermolecular Hydrogen-Bonding Strengthening in Fluorenone-Methanol Complexes Induced by Electronic Excitation and Bulk Solvent Effect 期刊论文
http://dx.doi.org/10.1063/1674-0068/26/06/617-626, 2013
Sun, Chao; Liu, Jie; Liang, Wan-zhen; Zhao, Yi; 刘婕; 梁万珍; 赵仪
收藏  |  浏览/下载:5/0  |  提交时间:2015/07/22


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